N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

C20H18N2O3S — CID 42966966

IUPACN-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1cccs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c23-20(15-25-21-13-19-7-4-12-26-19)22-17-8-10-18(11-9-17)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,22,23)/b21-13+
InChIKeySCWMPZVPZDWUTQ-FYJGNVAPSA-N
MW366.44 g/mol
LogP4.32
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (PubChem CID 42966966) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
PubChem CID42966966
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESO=C(CO/N=C/c1cccs1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c23-20(15-25-21-13-19-7-4-12-26-19)22-17-8-10-18(11-9-17)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,22,23)/b21-13+
InChIKeySCWMPZVPZDWUTQ-FYJGNVAPSA-N
XLogP4.32
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-thiophen-2-ylacetate
CID 7799166
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8650925
N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
CID 46677751
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 78767027
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (CID 42966966) is N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is O=C(CO/N=C/c1cccs1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The InChIKey is SCWMPZVPZDWUTQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20(15-25-21-13-19-7-4-12-26-19)22-17-8-10-18(11-9-17)24-14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,22,23)/b21-13+.
What are the key properties of N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide has a molecular weight of 366.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is sourced from PubChem (CID 42966966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).